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Substance Name: TMP 1363
RN: 36951-72-1
InChIKey: AKZFRMNXBLFDNN-GVHKZQBISA-K

Molecular Formula

  • C44-H38-N8.4C7-H7-O3-S

Molecular Weight

  • 1363.62
 
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Names and Synonyms

Results Name

  • TMP 1363

Synonyms

  • meso-Tetrakis(N-methylpyridinium-4-yl)porphine tetratosylate
  • TPPT 4

Systematic Name

  • Pyridinium, 4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis(1-methyl-, salt with 4-methylbenzenesulfonic acid (1:4)

Registry Numbers

CAS Registry Number

  • 36951-72-1

Other Registry Numbers

  • 135737-45-0
  • 1453172-17-2
  • 196792-70-8

Related Registry Number

  • 38673-65-3 (Parent)

System Generated Number

  • 0036951721

Molecular Formulas

Molecular Formula

  • C44-H38-N8.4C7-H7-O3-S

Molecular Formula Fragments

  • C44-H38-N8
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C44H37N8.4C7H8O3S/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31;4*1-6-2-4-7(5-3-6)11(8,9)10/h5-28H,1-4H3,(H,45,46,47,48);4*2-5H,1H3,(H,8,9,10)/q+3;;;;/p-3/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;;;

InChIKey

AKZFRMNXBLFDNN-GVHKZQBISA-K

Smiles

c1(ccc(C)cc1)S(=O)(=O)[O-].c12c(c3[nH]c(cc3)c(c3cc[n+](C)cc3)c3nc(c(c4ccc(c(c(n1)C=C2)c1cc[n+](C)cc1)[nH]4)c1cc[n+](C)cc1)C=C3)c1cc[n+](cc1)C.c1(ccc(C)cc1)S(=O)(=O)[O-].c1(ccc(C)cc1)S(=O)(=O)[O-].c1(ccc(C)cc1)S(=O)(=O)[O-]